Information card for entry 7042047

Structure parameters

• Formula: C67 H104 Fe10 N2 O41
• Calculated formula: C67 H103 Fe10 N2 O41
• Title of publication: Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.
• Authors of publication: Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3240 - 3251
• a: 11.0455 ± 0.0011 Å
• b: 13.9295 ± 0.0011 Å
• c: 16.0391 ± 0.0014 Å
• α: 96.034 ± 0.007°
• β: 108.589 ± 0.008°
• γ: 108.143 ± 0.008°
• Cell volume: 2164.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No